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Compound Detail

CHEMBL190351

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CCN(CC)CCCCNc1cc2nc(N)c(-c3ccccc3)cc2cn1

Basic Information

ChEMBL ID CHEMBL190351
Phase Preclinical
Structure Type MOL
InChI Key COMJNASTFFNZAX-UHFFFAOYSA-N
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
4.41
ALogP
5
HBA
2
HBD
67.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N5
MW 363.51
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.99

Activity Summary

IC50 5 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
IC50 5.85 5.85 1400.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.51 5.325 3100.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.44 5.44 3600.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16000000 10.1021/jm0500931 Fibroblast growth factor receptor 1 2
16000000 10.1021/jm0500931 Vascular endothelial growth factor receptor 2 1
16000000 10.1021/jm0500931 Platelet-derived growth factor receptor beta 1
16000000 10.1021/jm0500931 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine